Geometry & MOs

Info

ID:	360764
PubChem CID:	127301409
Reduced:	SO3N4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	389.102097
ΔH_f, kcal/mol:	-33.61
Dipole, Da:	3.92
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations